Molecular Properties | |
SMILES: | CC(=O)N1CCN(Cc2ccc3ccc(S(N)(=O)=O)cc3n2)CC1 |
MW: | 348.428 |
Fraction sp3: | 0.38 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 96.6 |
cLogP: | 0.5463 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Dye 22
HEI-REL-0c990a45-4
0.581
JAN-GHE-1d98ec1c-1
0.480
NIM-UNI-02269248-3
0.439
MIH-UNI-6b9ca91a-9
0.417
JAN-GHE-1d98ec1c-3
0.378
CHR-UNK-e061132b-1
0.375
CHR-UNK-b46452fc-1
0.375
HEI-REL-0c990a45-2
0.369
WIL-LEE-23e8b574-7
0.368
JAN-GHE-1d98ec1c-9
0.366
HEI-REL-0c990a45-1
0.365
JAN-GHE-1d98ec1c-10
0.362
MIH-UNI-e573136b-4
0.360
WIL-LEE-23e8b574-4
0.360
JAN-GHE-1d98ec1c-8
0.358
SEL-UNI-cd366922-7
0.357
JAN-GHE-1d98ec1c-2
0.350
JAN-GHE-1d98ec1c-7
0.349
LON-WEI-b8d98729-4
0.349
JAN-GHE-1d98ec1c-4
0.345
JOH-UNK-14e6adc5-7
0.341
MAK-UNK-6435e6c2-3
0.338
JOH-UNK-14e6adc5-8
0.337
NIM-UNI-594fbbb6-3
0.337
NIM-UNI-bb610069-3
0.337
HEI-REL-0c990a45-5
0.326
DAR-DIA-fb20be43-9
0.322
PAT-UNK-b2d83456-1
0.321
MAK-UNK-6435e6c2-2
0.315
BEN-BAS-c3742787-1
0.314
AND-UNI-23ac02e4-1
0.312
DAR-DIA-fb20be43-12
0.308
BEN-VAN-c986b20b-10
0.307
KIM-UNI-2ee5d8f9-1
0.307
JAN-GHE-fd8d85a5-10
0.301
SAD-SAT-581007d4-4
0.301
KEI-UNI-85a52787-2
0.299
BEN-VAN-c986b20b-5
0.297
PAT-UNK-b2d83456-2
0.296
KIM-UNI-7d12df64-3
0.296
KEI-UNI-85a52787-3
0.294
BEN-VAN-c986b20b-16
0.292
BEN-VAN-c986b20b-17
0.292
BEN-VAN-c986b20b-3
0.292
WIL-LEE-23e8b574-2
0.291
KEI-UNI-85a52787-1
0.291
JAN-GHE-1d98ec1c-6
0.291
PAT-UNK-b2d83456-3
0.289
HEI-REL-0c990a45-3
0.289
BEN-VAN-c986b20b-15
0.289
BEN-VAN-c986b20b-1
0.289
KIM-UNI-7d12df64-1
0.286
SAD-SAT-581007d4-3
0.286
WIL-LEE-23e8b574-3
0.286
JOK-SYG-6ec557d2-1
0.284
HAR-NEW-e34cb1ae-5
0.284
JAN-GHE-fd8d85a5-3
0.284
NIR-THE-0d6461ce-4
0.283
NIR-THE-0d6461ce-5
0.283
BEN-VAN-c986b20b-4
0.283
DRR-IMP-38dce17f-5
0.282
JAN-GHE-fd8d85a5-12
0.281
LIZ-THE-d3ff4653-2
0.280
JAN-GHE-fd8d85a5-1
0.279
BEN-VAN-c986b20b-2
0.278
MAK-UNK-af83ef51-17
0.277
JAN-GHE-fd8d85a5-2
0.277
BEN-VAN-d8fd1356-21
0.276
KIM-UNI-7d12df64-2
0.276
MAR-TRE-dab8f6ea-45
0.275
HAR-NEW-e34cb1ae-6
0.275
BEN-VAN-c986b20b-13
0.274
WIL-LEE-23e8b574-1
0.273
VIC-UNI-33d4332f-2
0.272
SAD-SAT-5b1897b2-2
0.272
STU-CHA-0f79177c-1
0.271
BEN-DND-6de5dfa0-25
0.271
JAN-GHE-fd8d85a5-8
0.270
JAN-GHE-fd8d85a5-9
0.270
IND-SYN-8f867502-2
0.269
TAM-UNI-d1c3dd9f-6
0.269
ISA-SCH-8e98219b-2
0.268
BEN-DND-6de5dfa0-27
0.267
PED-UNI-89deb5c9-1
0.266
MAK-UNK-0b1cbb06-5
0.265
NIM-UNI-363644a0-1
0.264
ALE-MCD-a1893bfb-1
0.263
PAU-UNI-2d648ace-1
0.263
SIM-DEM-5935bd74-4
0.262
BEN-DND-6de5dfa0-26
0.262
ANT-STE-dbb91f63-1
0.261
ANT-STE-dbb91f63-2
0.260
ISA-SCH-8e98219b-3
0.259
NAU-LAT-3f5f3993-4
0.258
BEN-VAN-c986b20b-7
0.258
BEN-VAN-d8fd1356-24
0.256
MAR-TRE-dab8f6ea-6
0.255
AAR-POS-d2a4d1df-4
0.253
MAK-UNK-6435e6c2-5
0.253
JON-UIO-066ce08b-3
0.253